AC1NKB5E
N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
Also Known As: N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide|N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide|N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
| Molecular Formula | C20H13F4N5O3S |
|---|---|
| Molecular Weight | 479.06754 g/mol |
| LogP | 2.62799 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.06754 |
| Monoisotopic Mass | 479.06754 |
| Heavy Atoms | 33 |
| Complexity | 1369.6781 |
Chemical Identifiers
| CAS Number | 879471-96-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)CN2C3=C(C(=O)NC2=S)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=C(C=C4)F |
Product Overview
AC1NKB5E (CAS 879471-96-2), with molecular formula C20H13F4N5O3S and molecular weight 479.06754 g/mol. IUPAC: N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide.
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